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as shown, drho will not decrease. I have already checked methods from other issues, like lower smearing_sigma, mixing_beta or change mixing_type, but no one worked. And tried to change STRU make atom moveable or not. End up all like this (where drho will not decrease)
here are log and INPUT (normalized)
running_scf (6).log
INPUT.txt
slurm-11529758.log
Have you read FAQ on the online manual http://abacus.deepmodeling.com/en/latest/community/faq.html
- Yes, I have read the FAQ part on online manual.
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QuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.